ethyl 3-[5-amino-2-(2-methoxyethoxy)phenyl]propanoate

C14H21NO4 — CID 146676304

IUPACethyl 3-[5-amino-2-(2-methoxyethoxy)phenyl]propanoate
SMILESCCOC(=O)CCc1cc(N)ccc1OCCOC
InChIInChI=1S/C14H21NO4/c1-3-18-14(16)7-4-11-10-12(15)5-6-13(11)19-9-8-17-2/h5-6,10H,3-4,7-9,15H2,1-2H3
InChIKeyAVPGKXBRTHIOOW-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.79
Rot. Bonds8

About ethyl 3-[5-amino-2-(2-methoxyethoxy)phenyl]propanoate

ethyl 3-[5-amino-2-(2-methoxyethoxy)phenyl]propanoate (PubChem CID 146676304) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is ethyl 3-[5-amino-2-(2-methoxyethoxy)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[5-amino-2-(2-methoxyethoxy)phenyl]propanoate
PubChem CID146676304
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nameethyl 3-[5-amino-2-(2-methoxyethoxy)phenyl]propanoate
SMILESCCOC(=O)CCc1cc(N)ccc1OCCOC
InChIInChI=1S/C14H21NO4/c1-3-18-14(16)7-4-11-10-12(15)5-6-13(11)19-9-8-17-2/h5-6,10H,3-4,7-9,15H2,1-2H3
InChIKeyAVPGKXBRTHIOOW-UHFFFAOYSA-N
XLogP1.79
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(5-amino-2-hydroxyphenyl)propanoate
CID 3847295
ethyl 4-amino-2-(2-methoxyethoxy)benzoate
CID 106955360
ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]propanoate
CID 66907182
ethane;ethyl 4-(5-amino-2-methylphenoxy)butanoate
CID 143753454
ethyl 3-[2-(methoxymethoxy)phenyl]propanoate
CID 102097984
ethyl 3-(2,4,5-trimethoxyphenyl)propanoate
CID 66702332
ethyl 3-(4-amino-2-nitrophenyl)propanoate
CID 89337654
2-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 63326313
4-ethoxy-3-[2-(2-methoxyethoxy)ethoxymethyl]aniline
CID 104560280
tert-butyl 3-[5-amino-2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoate
CID 19598037
ethyl 2-[5-amino-2-[2-(4-methoxyphenoxy)ethoxy]phenoxy]acetate
CID 59442207
2-(4-amino-2-butylphenoxy)ethanol
CID 142157339

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-amino-2-(2-methoxyethoxy)phenyl]propanoate?
The IUPAC name of ethyl 3-[5-amino-2-(2-methoxyethoxy)phenyl]propanoate (CID 146676304) is ethyl 3-[5-amino-2-(2-methoxyethoxy)phenyl]propanoate.
What is the SMILES notation for ethyl 3-[5-amino-2-(2-methoxyethoxy)phenyl]propanoate?
The canonical SMILES for ethyl 3-[5-amino-2-(2-methoxyethoxy)phenyl]propanoate is CCOC(=O)CCc1cc(N)ccc1OCCOC.
What is the InChIKey of ethyl 3-[5-amino-2-(2-methoxyethoxy)phenyl]propanoate?
The InChIKey is AVPGKXBRTHIOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-18-14(16)7-4-11-10-12(15)5-6-13(11)19-9-8-17-2/h5-6,10H,3-4,7-9,15H2,1-2H3.
What are the key properties of ethyl 3-[5-amino-2-(2-methoxyethoxy)phenyl]propanoate?
ethyl 3-[5-amino-2-(2-methoxyethoxy)phenyl]propanoate has a molecular weight of 267.32 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-amino-2-(2-methoxyethoxy)phenyl]propanoate is sourced from PubChem (CID 146676304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).